4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid

C8H3Cl2IO5 — CID 23357035

IUPAC4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid
SMILESO=Ic1c(C(=O)O)cc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C8H3Cl2IO5/c9-3-1-2(7(12)13)6(11-16)4(5(3)10)8(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyBFWOQKBHRDMEBZ-UHFFFAOYSA-N
MW376.92 g/mol
LogP2.88
Rot. Bonds3

About 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid

4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid (PubChem CID 23357035) has the molecular formula C8H3Cl2IO5 and a molecular weight of 376.92 g/mol. Its IUPAC name is 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid
PubChem CID23357035
Molecular FormulaC8H3Cl2IO5
Molecular Weight376.92 g/mol
Exact Mass375.84
IUPAC Name4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid
SMILESO=Ic1c(C(=O)O)cc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C8H3Cl2IO5/c9-3-1-2(7(12)13)6(11-16)4(5(3)10)8(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyBFWOQKBHRDMEBZ-UHFFFAOYSA-N
XLogP2.88
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.92
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid (CID 23357035) is 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid is O=Ic1c(C(=O)O)cc(Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid?
The InChIKey is BFWOQKBHRDMEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2IO5/c9-3-1-2(7(12)13)6(11-16)4(5(3)10)8(14)15/h1H,(H,12,13)(H,14,15).
What are the key properties of 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid?
4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid has a molecular weight of 376.92 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-iodosylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 23357035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).